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13160-88-8 | 2,4,6-Octatrienedioic acid, dimethyl ester, (E,E,E)- (8CI,9CI)
CAS No: 13160-88-8 Catalog No: AG000ZHJ MDL No:
Product Description
Catalog Number:
AG000ZHJ
Chemical Name:
2,4,6-Octatrienedioic acid, dimethyl ester, (E,E,E)- (8CI,9CI)
CAS Number:
13160-88-8
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
dimethyl octa-2,4,6-trienedioate
InChI:
InChI=1S/C10H12O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H,1-2H3
InChI Key:
IWMKVZSEKTWVJA-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/C=C/C=C/C(=O)OC
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
1.5
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